Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
1.0104 5.2295 0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1075 4.2091 -0.4382 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0989 3.6208 -1.0144 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2709 2.2580 -0.7019 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3916 1.7380 0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3498 2.5158 1.5335 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5746 0.2746 0.8495 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8700 -0.1053 0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2767 -1.4943 0.3467 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6491 -2.3108 1.0411 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4333 -1.9151 -0.3101 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8371 -3.2685 -0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0783 -3.5317 -0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1585 -3.9360 -0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5424 -0.5082 0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8739 -0.0715 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0583 0.8163 1.5496 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9890 -0.7060 0.1689 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2866 -0.3291 0.6155 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2656 -1.1821 -0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1905 -0.6766 -0.9075 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6651 0.0219 2.1868 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0652 5.6734 0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9035 5.6899 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0820 3.8217 -0.6845 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0206 3.6584 -2.1379 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9733 4.2362 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6913 0.6172 0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7645 0.0602 -0.9393 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0605 -3.4032 0.9259 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0678 -3.9758 -0.5196 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0345 -3.3760 -1.9811 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0596 -4.1260 -0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2026 -4.0917 0.7943 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5396 -0.3270 -0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3877 -1.5729 0.3972 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4027 -0.5026 1.7055 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4520 0.7178 0.3188 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1821 -2.2586 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8725 -1.3334 -1.4223 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2535 0.3823 -1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0221 -0.5386 2.5781 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers